Drugs Information: Simeprevir
Basic Information
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| ID | DDInter1673 | |
| Drug Type | small molecule | |
| Molecular Formula | C38H47N5O7S2 | |
| Molecular Weight | 749.954 | |
| Description | Simeprevir is a direct-acting antiviral agent that inhibits HCV NS3/4A protease to treat chronic hepatitis C virus (HCV) infection in adults with HCV genotype 1 or 4. | |
| ATC Classification | G01AE10 J05AP05 | |
| IUPAC Name | (1R,4R,6R,7Z,15R,17R)-N-(Cyclopropanesulfonyl)-17-({7-Methoxy-8-Methyl-2-[4-(Propan-2-Yl)-1,3-Thiazol-2-Yl]Quinolin-4-Yl}Oxy)-13 | |
| InChI | Inchi=1S/C38H47N5O7S2/C1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/H8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/B10-8-/T23-,24-,27-,28-,38-/M1/S1 | |
| InChI Key | JTZZSQYMACOLNN-VDWJNHBNSA-N | |
| Canonical SMILES | [H][C@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)OC1=CC(=NC2=C1C=CC(OC)=C2C)C1=NC(=CS1)C(C)C)C(=O)NS(=O)(=O)C1CC1 | |
| Useful Links | DrugBank ChEMBL PubChem | |
Interactions with Simeprevir
| Severity level | ID | Name | Mechanism | Detail |
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